4-(1,3-thiazol-2-yl)oxan-4-ol

C8H11NO2S — CID 18996289

IUPAC4-(1,3-thiazol-2-yl)oxan-4-ol
SMILESOC1(c2nccs2)CCOCC1
InChIInChI=1S/C8H11NO2S/c10-8(1-4-11-5-2-8)7-9-3-6-12-7/h3,6,10H,1-2,4-5H2
InChIKeyWHOMAYRRFFNNPA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.14
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)oxan-4-ol

4-(1,3-thiazol-2-yl)oxan-4-ol (PubChem CID 18996289) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)oxan-4-ol
PubChem CID18996289
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(1,3-thiazol-2-yl)oxan-4-ol
SMILESOC1(c2nccs2)CCOCC1
InChIInChI=1S/C8H11NO2S/c10-8(1-4-11-5-2-8)7-9-3-6-12-7/h3,6,10H,1-2,4-5H2
InChIKeyWHOMAYRRFFNNPA-UHFFFAOYSA-N
XLogP1.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)oxan-4-ol?
The IUPAC name of 4-(1,3-thiazol-2-yl)oxan-4-ol (CID 18996289) is 4-(1,3-thiazol-2-yl)oxan-4-ol.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)oxan-4-ol?
The canonical SMILES for 4-(1,3-thiazol-2-yl)oxan-4-ol is OC1(c2nccs2)CCOCC1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)oxan-4-ol?
The InChIKey is WHOMAYRRFFNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-8(1-4-11-5-2-8)7-9-3-6-12-7/h3,6,10H,1-2,4-5H2.
What are the key properties of 4-(1,3-thiazol-2-yl)oxan-4-ol?
4-(1,3-thiazol-2-yl)oxan-4-ol has a molecular weight of 185.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)oxan-4-ol is sourced from PubChem (CID 18996289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).